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Ligand

NameCHEMBL476341
Molecular formulaC24H27NO3
IUPAC nameN-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide
Molecular weight377.484
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50263662
N-[2-(3-(3-Hydroxymethylphenyl)-7-methoxynaphth-1-yl)ethyl]butyramide
SCHEMBL5929489
Inchi KeyABRICCKMWDDVJT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27NO3/c1-3-5-24(27)25-11-10-20-14-21(18-7-4-6-17(12-18)16-26)13-19-8-9-22(28-2)15-23(19)20/h4,6-9,12-15,26H,3,5,10-11,16H2,1-2H3,(H,25,27)
PubChem CID12985495
ChEMBLCHEMBL476341
IUPHARN/A
BindingDB50263662
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
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GLASS IDNameUniProtGeneSpeciesLength
1099Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
1100Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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